3066-0009 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide

3066-0009 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide
3066-0009 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3066-0009
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3066-0009

Molecular Formula

C16H17NO6S (C16 H17 NO6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-34-dimethoxybenzene-1-sulfonamide

SMILES

COc(ccc(S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)c1OC

InChI

InChI=1S/C16H17NO6S/c1-20-13-6-4-12(8-15(13)21-2)24(18,19)17-9-11-3-5-14-16(7-11)23-10-22-14/h3-8,17H,9-10H2,1-2H3

InChI Key

WTTOSWFGOBSFAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.317

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.71

Polar Surface Area

74.373

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3066-0009 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3066-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3066-0009?
Check Price and Availability of 3066-0009, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3066-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3066-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3066-0009
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3066-0009 available by request